SCHEMBL2903652

SCHEMBL2903652

Oc1ccc2cc(Oc3cccc(Oc4ccc5cc(O)ccc5c4)n3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.49
F10 P00742 3/20 0.49
CYP1A2 P05177 2/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
ESR1 P03372 6/20 0.46
ESR2 Q92731 5/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B14 Q9BPX1 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HSD17B1 P14061 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B2 P37059 1/20 0.46
HAO1 Q9UJM8 1/20 0.45
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2906403 0.96 F2 (0.49) F2F10CYP1A2PRSS1PRSS2
SCHEMBL2904926 0.92 ESR1 (0.52) F2F10CYP1A2PRSS1PRSS2
SCHEMBL9878210 0.84 F10 (0.56) F2F10PRSS1PRSS2PRSS3
SCHEMBL2898802 0.84 LTA4H (0.60) F2F10CYP1A2PRSS1PRSS2
SCHEMBL2906411 0.83 CYP1A2 (0.42) CYP1A2ESR1ESR2CYP3A4CYP2D6
SCHEMBL2903830 0.83 HSD17B1 (0.47) F10CYP1A2ESR1ESR2CYP3A4
SCHEMBL2906030 0.82 MEN1 (0.45) CYP1A2ESR1ESR2CYP3A4CYP2D6
SCHEMBL108119 0.82 F10 (0.50) F2F10PRSS1PRSS2PRSS3
SCHEMBL5686998 0.82 SCN7A (0.47) CYP1A2ESR1ESR2HAO1KDM4E
SCHEMBL2901606 0.82 CYP1A2 (0.54) F2F10CYP1A2ESR1ESR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636209-B1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT SUMITOMO CHEMICAL CO (JP) 2010-08-11 EP disclosed
US-7279574-B2 Epoxy compound and cured epoxy resin product SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060159929-A1 Epoxy compound and cured epoxy resin product HITACHI, LTD. (JP) 2006-07-20 US disclosed